N-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine

C18H20N4O2S — CID 56865893

IUPACN-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine
SMILESO=S(=O)(NCc1ccccc1)NC(Cn1cccn1)c1ccccc1
InChIInChI=1S/C18H20N4O2S/c23-25(24,20-14-16-8-3-1-4-9-16)21-18(15-22-13-7-12-19-22)17-10-5-2-6-11-17/h1-13,18,20-21H,14-15H2
InChIKeyMOQBGJODCVGMTJ-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.25
Rot. Bonds8

About N-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine

N-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine (PubChem CID 56865893) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine
PubChem CID56865893
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine
SMILESO=S(=O)(NCc1ccccc1)NC(Cn1cccn1)c1ccccc1
InChIInChI=1S/C18H20N4O2S/c23-25(24,20-14-16-8-3-1-4-9-16)21-18(15-22-13-7-12-19-22)17-10-5-2-6-11-17/h1-13,18,20-21H,14-15H2
InChIKeyMOQBGJODCVGMTJ-UHFFFAOYSA-N
XLogP2.25
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine?
The IUPAC name of N-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine (CID 56865893) is N-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine is O=S(=O)(NCc1ccccc1)NC(Cn1cccn1)c1ccccc1.
What is the InChIKey of N-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine?
The InChIKey is MOQBGJODCVGMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-25(24,20-14-16-8-3-1-4-9-16)21-18(15-22-13-7-12-19-22)17-10-5-2-6-11-17/h1-13,18,20-21H,14-15H2.
What are the key properties of N-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine?
N-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine has a molecular weight of 356.45 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 56865893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).